Basic information
- CAS
5746-95-2- Standard SMILES
ClCCC=C(c1ccccc1)c1ccccc1- InChIKey
XGOZGDXXUIRGTQ-UHFFFAOYSA-N- Molecular formula
- C16H15Cl
- Average molar mass
- 242.74 g/mol
- Monoisotopic mass
- 242.08622816
Names & identifiers
- Preferred name
- 1,1'-(4-Chloro-1-butenylidene)bisbenzene
- IUPAC
- (4-chloro-1-phenylbut-1-enyl)benzene
- English name
- 1,1'-(4-chloro-1-butenylidene)bisbenzene
- Molecular formula
- C16H15Cl
- Molecular weight
- 242.7433
Names & synonyms
1,1'-(4-Chloro-1-butenylidene)bisbenzene5746-95-21,1-diphenyl-4-chlorobut-1-eneEINECS 227-272-51,1'-(4-chlorobut-1-ene-1,1-diyl)dibenzene4-chloro-1,1-diphenyl-1-butene8PM2TLA6P44-chloro-1,1-diphenylbuteneSCHEMBL5636415DTXSID10206071Diphenidol Hydrochloride Impurity 12(4-chloro-1-phenyl-1-butenyl)benzene
Show more names
1,1-Diphenyl-4-chloro-1-butene
NS000337271,1'-(4-Chloro-1-butenylidene)bis[benzene]Benzene, 1,1'-(4-chloro-1-butenylidene)bis-
Database identifiers
- CAS
5746-95-2- PubChem CID
- 79821
- DTXSID
DTXSID10206071- UNII
- 8PM2TLA6P4
- EC Number
- 227-272-5
- Nikkaji
- J218.032D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- FDA UNII
- 8 PM2TLA6P4 · 8PM2TLA6P4
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
13 records
Compound notes
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